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1-Butyl-3-Methylimidazolium Tetrafluoroborate
CAS: 174501-65-6 | C8H15BF4N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
174501-65-6
Molecular Formula:
C8H15BF4N2
Molecular Mass:
226.03 g/mol
Names and Synonyms:
1-Butyl-3-Methylimidazolium Tetrafluoroborate
1H-Imidazolium, 3-butyl-1-methyl-, tetrafluoroborate(1-) (1:1)
1H-Imidazolium, 1-butyl-3-methyl-, tetrafluoroborate(1-)
1-Butyl-3-methylimidazolium tetrafluoroborate
1-Methyl-3-butylimidazolium tetrafluoroborate
1-Butyl-3-methyl-1H-imidazolium tetrafluoroborate
1-n-Butyl-3-methylimidazolium tetrafluoroborate
3-Butyl-1-methylimidazolium tetrafluoroborate
1-Butyl-3-methyl-1H-imidazolium tetrafluoroborate(1-)
BmimBF4
1-Butyl-3-methylimidazolium tetrafluoroborate(1-)
1-Butyl-1-methylimidazolium tetrafluoroborate
Bmim tetrafluoroborate
[1-Butyl-3-methylimidazolium]BF4
BMIm tetrafluoroborate(1-)
1-Methyl-3-butylimidazolium tetrafluoroborate(1-)
Butylmethylimidazolium tetrafluoroborate
1-Butyl-3-methyl-1H-imidazolium tetrafluoroborate(1-)
1-Butyl-3-methyl-1H-imidazol-3-ium tetrafloroborate
Identifiers:
SMILES:
CCCCn1cc[n+](C)c1.F[B-](F)(F)F
InChI:
InChI=1S/C8H15N2.BF4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;/q+1;-1
Key Properties
Melting Point
-17 °C
CAS Common Chemistry
Density
1.21 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.03 g/mol | CAS Common Chemistry |
| 226.02599999999995 g/mol | RDKit | |
| 226.12644175999998 g/mol | RDKit | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.21 g/cm3 @ Temp: Room temp | CAS Common Chemistry | |
| Canonical SMILES | [F-][B+3]([F-])([F-])[F-].C1=C[N+](=CN1C)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H15N2.BF4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=LSBXQLQATZTAPE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -17 °C | CAS Common Chemistry |
| Name | 1-Butyl-3-methylimidazolium tetrafluoroborate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 8.809999999999999 Ų | RDKit |
| LogP | 2.412700000000001 | RDKit |
| Molar Refractivity | 50.70200000000003 | RDKit |
